Home > Compound List > Compound details
89895-55-6 molecular structure
click picture or here to close

methyl piperidine-3-carboxylate hydrochloride

ChemBase ID: 255829
Molecular Formular: C7H14ClNO2
Molecular Mass: 179.64456
Monoisotopic Mass: 179.07130637
SMILES and InChIs

SMILES:
C(=O)(C1CNCCC1)OC.Cl
Canonical SMILES:
COC(=O)C1CCCNC1.Cl
InChI:
InChI=1S/C7H13NO2.ClH/c1-10-7(9)6-3-2-4-8-5-6;/h6,8H,2-5H2,1H3;1H
InChIKey:
BQQZKNAQDKIGGZ-UHFFFAOYSA-N

Cite this record

CBID:255829 http://www.chembase.cn/molecule-255829.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl piperidine-3-carboxylate hydrochloride
IUPAC Traditional name
methyl piperidine-3-carboxylate hydrochloride
Synonyms
methyl piperidine-3-carboxylate hydrochloride
CAS Number
89895-55-6
MDL Number
MFCD01861791
PubChem SID
164311739
PubChem CID
16336093

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 16336093 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
LogD (pH = 5.5) -2.9434247  LogD (pH = 7.4) -1.6599541 
Log P 0.18203369  Molar Refractivity 37.6904 cm3
Polarizability 15.197755 Å3 Polar Surface Area 38.33 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
0.535 expand Show data source
Purity
95% expand Show data source
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle